SCHEMBL4017150

SCHEMBL4017150

NC1CCN(c2ncnc3ccccc23)CC1.O=C(NC1CCN(c2ncnc3ccccc23)CC1)c1ccc(-n2cccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.56
SUV39H1 O43463 2/20 0.56
PRMT1 Q99873 2/20 0.56
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
PAK1 Q13153 9/20 0.50
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
DRD2 P14416 2/20 0.44
HTR2A P28223 2/20 0.44
DRD3 P35462 2/20 0.44
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
AKT1 P31749 2/20 0.42
AKT2 P31751 1/20 0.41
AKT3 Q9Y243 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4021867 0.95 MAPT (0.58) SMYD3SUV39H1PRMT1MAPTRAB9A
SCHEMBL4019439 0.86 MAPT (0.54) SMYD3SUV39H1PRMT1MAPTRAB9A
SCHEMBL4582882 0.81 MAPT (0.59) MAPTRAB9ADRD2HTR2ADRD3
SCHEMBL4024322 0.80 MAPT (0.58) MAPTRAB9APAK1DRD2HTR2A
SCHEMBL4018090 0.80 PDGFRB (0.60) SMYD3SUV39H1PRMT1PAK1LMNA
SCHEMBL2798904 0.77 LMNA (0.71) SMYD3SUV39H1PRMT1RAB9ALMNA
SCHEMBL4017662 0.76 SUV39H1 (0.48) SMYD3SUV39H1PRMT1PAK1LMNA
SCHEMBL4024042 0.72 PAK1 (0.71) PAK1LMNAHTTSMN1; SMN2DRD2
SCHEMBL4017146 0.71 LMNA (0.40) RAB9ALMNAHTTSMN1; SMN2AKT1
SCHEMBL9967045 0.71 KIT (0.65) PAK1AKT1AKT2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066654-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS Bayer Schering Pharma AG (DE) 2009-06-10 EP claimed
WO-2008028691-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO claimed